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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
(4S,8S)-10-hydroxy-4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),9-triene-6,11-dione
260.28
0.8
1
4
63.6
0
6beta-Angeloyloxy-3beta,8beta-dihydroxyeremophil-7(11)-en-12,8alpha-olide
364.40
2
2
6
93.06
3
Pyridin-1-ium-2-carboxylic acid;chloride
159.57
2
3
51.44
1
(1S)-1,5,8-trimethyl-1,2-dihydrobenzo[e][1]benzofuran-6,7-dione
242.27
2.6
0
3
43.37
0
4,8-Dihydroxy-2,3-dimethoxy-1-(3-methylbut-2-enyl)-9H-xanthen-9-one
356.40
4.7
2
6
89.13
4
5,3'-Dihydroxy-7,4'-dimethoxyflavanone
316.30
2.7
2
6
85.22
3
Pheophorbide b ethyl ester
634.70
2.7
2
10
139.01
9
O-Methyl cyclolaudenol
454.80
11
0
1
9.23
6
2a,3a-Dihydroxyandrostan-16-one
320.40
2
2
4
66.76
0
[(3S,3aR,4S,9aS,9bR)-9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
320.30
0
1
6
89.9
3
1alpha,6beta,7beta,14beta,15beta-Pentahydroxy-7alpha,20-epoxy-ent-kaur-16-ene
366.40
-0.4
5
6
110.38
0
Vieillardiixanthone B
356.40
4.7
2
6
89.13
4
7-Hydroxy-8-isopropyl-1,1,4a-trimethyl-4a,9,10,10a-tetrahydro-phenanthren-2(1H)-one
298.40
5.1
1
2
37.3
1
(2R)-5,10-dihydroxy-2-(hydroxymethyl)-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-one
328.30
3.1
3
6
100.13
1
Deacetylnomilin
472.50
2
1
8
115.57
1
Tetracosyl acetate
396.70
12.1
0
2
26.3
24
4-[3-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)propyl]-2-methoxyphenol
304.34
2.5
3
5
79.15
6
4-Pentadecylpyridine
289.50
8.6
0
1
12.89
14
1-Hydroxy-7-methoxy-1,6-dimethyl-4-(propan-2-yl)naphthalen-2(1H)-one
260.33
2.5
1
3
46.53
2
(2S)-9-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one
244.24
2.9
1
4
59.67
1
Hexacosyl hexadecanoate
621.10
20.6
0
2
26.3
40
Tetratriacontyl hexadecanoate
733.30
24.9
0
2
26.3
48
Tetracosanyl stearate
621.10
20.6
0
2
26.3
40
Hexacosyl eicosanoate
677.20
22.8
0
2
26.3
44
Octacosanyl eicosanoate
705.30
23.9
0
2
26.3
46
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